data_19733 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19733 _Entry.Title ; Structural Mapping of a Chaperone Substrate Interaction Surface ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-01-13 _Entry.Accession_date 2014-01-13 _Entry.Last_release_date 2014-04-11 _Entry.Original_release_date 2014-04-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Skp alanine side chain chemical shifts in the apo state' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Morgane Callon . . . 19733 2 Bjoern Burmann . M. . 19733 3 Sebastian Hiller . . . 19733 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Hiller group, Biozentrum, Basel' . 19733 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19733 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 14 19733 '1H chemical shifts' 42 19733 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-04-11 2014-01-13 original author . 19733 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19407 'Trimeric Skp' 19733 BMRB 19409 'Trimeric Skp with bound tOmpA' 19733 BMRB 19410 'tOmpA within the trimeric chaperone Skp' 19733 BMRB 19730 'Trimeric Skp with bound tOmpA' 19733 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19733 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24700611 _Citation.Full_citation . _Citation.Title 'Structural Mapping of a Chaperone-Substrate Interaction Surface.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Angew. Chem. Int. Ed. Engl.' _Citation.Journal_name_full 'Angewandte Chemie (International ed. in English)' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2014 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Morgane Callon . . . 19733 1 2 Bjorn Burmann . M. . 19733 1 3 Sebastian Hiller . . . 19733 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19733 _Assembly.ID 1 _Assembly.Name 'trimeric Skp' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 53959 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Skp, chain 1' 1 $Escherichia_Coli_Skp A . yes native no no . . . 19733 1 2 'Skp, chain 2' 1 $Escherichia_Coli_Skp A . yes native no no . . . 19733 1 3 'Skp, chain 3' 1 $Escherichia_Coli_Skp A . yes native no no . . . 19733 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes BMRB 19407 . . 'solution NMR' . . . 19733 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Escherichia_Coli_Skp _Entity.Sf_category entity _Entity.Sf_framecode Escherichia_Coli_Skp _Entity.Entry_ID 19733 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Escherichia_Coli_Skp _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSSHHHHHHSSGLVPRGSH MADKIAIVNMGSLFQQVAQK TGVSNTLENEFKGRASELQR METDLQAKMKKLQSMKAGSD RTKLEKDVMAQRQTFAQKAQ AFEQDRARRSNEERGKLVTR IQTAVKSVANSQDIDLVVDA NAVAYNSSDVKDITADVLKQ VK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'entry_citation: numbering starts at residue 22' _Entity.Polymer_author_seq_details 'native processed E. coli Skp (residues 21 - 161) hexahistidin-tag and thrombin cleavage site' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 162 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Escherichia coli Skp' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes PDB 1U2M . "Crystal Structure of Skp" . . . . . . . . . . . . . . 19733 1 2 yes PDB 1SG2 . "Crystal Structure of the Periplasmic Chaperone Skp" . . . . . . . . . . . . . . 19733 1 3 yes BMRB 19730 . Escherichia_Coli_Skp . . . . . . . . . . . . . . 19733 1 4 yes BMRB 19410 . Escherichia_Coli_Skp . . . . . . . . . . . . . . 19733 1 5 yes BMRB 19409 . Escherichia_Coli_Skp . . . . . . . . . . . . . . 19733 1 6 yes BMRB 19407 . Escherichia_Coli_Skp . . . . . . . . . . . . . . 19733 1 7 yes UNP P0AEU7 . SKP_ECOLI . . . . . . . . . . . . . . 19733 1 8 no BMRB 19407 . Escherichia_Coli_Skp . . . . . 100.00 234 100.00 100.00 2.06e-111 . . . . 19733 1 9 no BMRB 19408 . Escherichia_Coli_Skp . . . . . 100.00 234 100.00 100.00 2.06e-111 . . . . 19733 1 10 no BMRB 19409 . Escherichia_Coli_Skp . . . . . 100.00 162 100.00 100.00 1.36e-112 . . . . 19733 1 11 no BMRB 19730 . Escherichia_Coli_Skp . . . . . 100.00 162 100.00 100.00 1.36e-112 . . . . 19733 1 12 no PDB 1SG2 . "Crystal Structure Of The Periplasmic Chaperone Skp" . . . . . 87.04 153 100.00 100.00 1.36e-93 . . . . 19733 1 13 no DBJ BAA77853 . "periplasmic chaperone [Escherichia coli str. K12 substr. W3110]" . . . . . 88.89 161 97.92 98.61 4.35e-94 . . . . 19733 1 14 no DBJ BAB33603 . "histone-like protein HlpA [Escherichia coli O157:H7 str. Sakai]" . . . . . 88.89 161 97.92 98.61 4.35e-94 . . . . 19733 1 15 no DBJ BAG75701 . "conserved hypothetical protein [Escherichia coli SE11]" . . . . . 88.89 161 97.92 98.61 4.35e-94 . . . . 19733 1 16 no DBJ BAI23539 . "periplasmic chaperone [Escherichia coli O26:H11 str. 11368]" . . . . . 88.89 161 97.92 98.61 4.35e-94 . . . . 19733 1 17 no DBJ BAI29054 . "periplasmic chaperone [Escherichia coli O103:H2 str. 12009]" . . . . . 88.89 161 97.92 98.61 4.35e-94 . . . . 19733 1 18 no EMBL CAA38567 . "HLPI [Escherichia coli]" . . . . . 55.56 90 100.00 100.00 2.64e-54 . . . . 19733 1 19 no EMBL CAP74747 . "chaperone protein skp [Escherichia coli LF82]" . . . . . 88.89 161 97.92 98.61 4.35e-94 . . . . 19733 1 20 no EMBL CAQ30692 . "periplasmic chaperone, subunit of Skp periplasmic chaperone [Escherichia coli BL21(DE3)]" . . . . . 88.89 161 97.92 98.61 4.35e-94 . . . . 19733 1 21 no EMBL CAQ97065 . "periplasmic chaperone [Escherichia coli IAI1]" . . . . . 88.89 161 97.92 98.61 4.35e-94 . . . . 19733 1 22 no EMBL CAR01553 . "periplasmic chaperone [Escherichia coli S88]" . . . . . 88.89 161 97.92 98.61 4.35e-94 . . . . 19733 1 23 no GB AAA24630 . "17K protein (gtg start codon) [Escherichia coli]" . . . . . 88.89 161 97.92 98.61 4.35e-94 . . . . 19733 1 24 no GB AAB08607 . "histone-like protein [Escherichia coli]" . . . . . 88.89 161 97.92 98.61 4.35e-94 . . . . 19733 1 25 no GB AAC73289 . "periplasmic chaperone [Escherichia coli str. K-12 substr. MG1655]" . . . . . 88.89 161 97.92 98.61 4.35e-94 . . . . 19733 1 26 no GB AAG54480 . "histone-like protein, located in outer membrane or nucleoid [Escherichia coli O157:H7 str. EDL933]" . . . . . 88.89 161 97.92 98.61 4.35e-94 . . . . 19733 1 27 no GB AAN41830 . "histone-like protein [Shigella flexneri 2a str. 301]" . . . . . 88.89 161 97.92 98.61 4.35e-94 . . . . 19733 1 28 no REF NP_308207 . "periplasmic chaperone [Escherichia coli O157:H7 str. Sakai]" . . . . . 88.89 161 97.92 98.61 4.35e-94 . . . . 19733 1 29 no REF NP_414720 . "periplasmic chaperone [Escherichia coli str. K-12 substr. MG1655]" . . . . . 88.89 161 97.92 98.61 4.35e-94 . . . . 19733 1 30 no REF NP_706123 . "periplasmic chaperone [Shigella flexneri 2a str. 301]" . . . . . 88.89 161 97.92 98.61 4.35e-94 . . . . 19733 1 31 no REF WP_000758954 . "chaperone protein Skp [Escherichia coli]" . . . . . 88.89 161 97.22 98.61 8.38e-94 . . . . 19733 1 32 no REF WP_000758955 . "chaperone protein Skp [Escherichia coli]" . . . . . 88.89 161 97.22 98.61 8.38e-94 . . . . 19733 1 33 no SP P0AEU7 . "RecName: Full=Chaperone protein Skp; AltName: Full=DNA-binding 17 kDa protein; AltName: Full=Histone-like protein HLP-1; AltNam" . . . . . 88.89 161 97.92 98.61 4.35e-94 . . . . 19733 1 34 no SP P0AEU8 . "RecName: Full=Chaperone protein Skp; Flags: Precursor" . . . . . 88.89 161 97.92 98.61 4.35e-94 . . . . 19733 1 35 no SP P0AEU9 . "RecName: Full=Chaperone protein Skp; Flags: Precursor" . . . . . 88.89 161 97.92 98.61 4.35e-94 . . . . 19733 1 36 no SP P0AEV0 . "RecName: Full=Chaperone protein Skp; Flags: Precursor" . . . . . 88.89 161 97.92 98.61 4.35e-94 . . . . 19733 1 37 no SP Q325W2 . "RecName: Full=Chaperone protein Skp; Flags: Precursor" . . . . . 88.89 161 97.92 98.61 4.35e-94 . . . . 19733 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Molecular chaperone' 19733 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 19733 1 2 . GLY . 19733 1 3 . SER . 19733 1 4 . SER . 19733 1 5 . HIS . 19733 1 6 . HIS . 19733 1 7 . HIS . 19733 1 8 . HIS . 19733 1 9 . HIS . 19733 1 10 . HIS . 19733 1 11 . SER . 19733 1 12 . SER . 19733 1 13 . GLY . 19733 1 14 . LEU . 19733 1 15 . VAL . 19733 1 16 . PRO . 19733 1 17 . ARG . 19733 1 18 . GLY . 19733 1 19 . SER . 19733 1 20 . HIS . 19733 1 21 . MET . 19733 1 22 . ALA . 19733 1 23 . ASP . 19733 1 24 . LYS . 19733 1 25 . ILE . 19733 1 26 . ALA . 19733 1 27 . ILE . 19733 1 28 . VAL . 19733 1 29 . ASN . 19733 1 30 . MET . 19733 1 31 . GLY . 19733 1 32 . SER . 19733 1 33 . LEU . 19733 1 34 . PHE . 19733 1 35 . GLN . 19733 1 36 . GLN . 19733 1 37 . VAL . 19733 1 38 . ALA . 19733 1 39 . GLN . 19733 1 40 . LYS . 19733 1 41 . THR . 19733 1 42 . GLY . 19733 1 43 . VAL . 19733 1 44 . SER . 19733 1 45 . ASN . 19733 1 46 . THR . 19733 1 47 . LEU . 19733 1 48 . GLU . 19733 1 49 . ASN . 19733 1 50 . GLU . 19733 1 51 . PHE . 19733 1 52 . LYS . 19733 1 53 . GLY . 19733 1 54 . ARG . 19733 1 55 . ALA . 19733 1 56 . SER . 19733 1 57 . GLU . 19733 1 58 . LEU . 19733 1 59 . GLN . 19733 1 60 . ARG . 19733 1 61 . MET . 19733 1 62 . GLU . 19733 1 63 . THR . 19733 1 64 . ASP . 19733 1 65 . LEU . 19733 1 66 . GLN . 19733 1 67 . ALA . 19733 1 68 . LYS . 19733 1 69 . MET . 19733 1 70 . LYS . 19733 1 71 . LYS . 19733 1 72 . LEU . 19733 1 73 . GLN . 19733 1 74 . SER . 19733 1 75 . MET . 19733 1 76 . LYS . 19733 1 77 . ALA . 19733 1 78 . GLY . 19733 1 79 . SER . 19733 1 80 . ASP . 19733 1 81 . ARG . 19733 1 82 . THR . 19733 1 83 . LYS . 19733 1 84 . LEU . 19733 1 85 . GLU . 19733 1 86 . LYS . 19733 1 87 . ASP . 19733 1 88 . VAL . 19733 1 89 . MET . 19733 1 90 . ALA . 19733 1 91 . GLN . 19733 1 92 . ARG . 19733 1 93 . GLN . 19733 1 94 . THR . 19733 1 95 . PHE . 19733 1 96 . ALA . 19733 1 97 . GLN . 19733 1 98 . LYS . 19733 1 99 . ALA . 19733 1 100 . GLN . 19733 1 101 . ALA . 19733 1 102 . PHE . 19733 1 103 . GLU . 19733 1 104 . GLN . 19733 1 105 . ASP . 19733 1 106 . ARG . 19733 1 107 . ALA . 19733 1 108 . ARG . 19733 1 109 . ARG . 19733 1 110 . SER . 19733 1 111 . ASN . 19733 1 112 . GLU . 19733 1 113 . GLU . 19733 1 114 . ARG . 19733 1 115 . GLY . 19733 1 116 . LYS . 19733 1 117 . LEU . 19733 1 118 . VAL . 19733 1 119 . THR . 19733 1 120 . ARG . 19733 1 121 . ILE . 19733 1 122 . GLN . 19733 1 123 . THR . 19733 1 124 . ALA . 19733 1 125 . VAL . 19733 1 126 . LYS . 19733 1 127 . SER . 19733 1 128 . VAL . 19733 1 129 . ALA . 19733 1 130 . ASN . 19733 1 131 . SER . 19733 1 132 . GLN . 19733 1 133 . ASP . 19733 1 134 . ILE . 19733 1 135 . ASP . 19733 1 136 . LEU . 19733 1 137 . VAL . 19733 1 138 . VAL . 19733 1 139 . ASP . 19733 1 140 . ALA . 19733 1 141 . ASN . 19733 1 142 . ALA . 19733 1 143 . VAL . 19733 1 144 . ALA . 19733 1 145 . TYR . 19733 1 146 . ASN . 19733 1 147 . SER . 19733 1 148 . SER . 19733 1 149 . ASP . 19733 1 150 . VAL . 19733 1 151 . LYS . 19733 1 152 . ASP . 19733 1 153 . ILE . 19733 1 154 . THR . 19733 1 155 . ALA . 19733 1 156 . ASP . 19733 1 157 . VAL . 19733 1 158 . LEU . 19733 1 159 . LYS . 19733 1 160 . GLN . 19733 1 161 . VAL . 19733 1 162 . LYS . 19733 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 19733 1 . GLY 2 2 19733 1 . SER 3 3 19733 1 . SER 4 4 19733 1 . HIS 5 5 19733 1 . HIS 6 6 19733 1 . HIS 7 7 19733 1 . HIS 8 8 19733 1 . HIS 9 9 19733 1 . HIS 10 10 19733 1 . SER 11 11 19733 1 . SER 12 12 19733 1 . GLY 13 13 19733 1 . LEU 14 14 19733 1 . VAL 15 15 19733 1 . PRO 16 16 19733 1 . ARG 17 17 19733 1 . GLY 18 18 19733 1 . SER 19 19 19733 1 . HIS 20 20 19733 1 . MET 21 21 19733 1 . ALA 22 22 19733 1 . ASP 23 23 19733 1 . LYS 24 24 19733 1 . ILE 25 25 19733 1 . ALA 26 26 19733 1 . ILE 27 27 19733 1 . VAL 28 28 19733 1 . ASN 29 29 19733 1 . MET 30 30 19733 1 . GLY 31 31 19733 1 . SER 32 32 19733 1 . LEU 33 33 19733 1 . PHE 34 34 19733 1 . GLN 35 35 19733 1 . GLN 36 36 19733 1 . VAL 37 37 19733 1 . ALA 38 38 19733 1 . GLN 39 39 19733 1 . LYS 40 40 19733 1 . THR 41 41 19733 1 . GLY 42 42 19733 1 . VAL 43 43 19733 1 . SER 44 44 19733 1 . ASN 45 45 19733 1 . THR 46 46 19733 1 . LEU 47 47 19733 1 . GLU 48 48 19733 1 . ASN 49 49 19733 1 . GLU 50 50 19733 1 . PHE 51 51 19733 1 . LYS 52 52 19733 1 . GLY 53 53 19733 1 . ARG 54 54 19733 1 . ALA 55 55 19733 1 . SER 56 56 19733 1 . GLU 57 57 19733 1 . LEU 58 58 19733 1 . GLN 59 59 19733 1 . ARG 60 60 19733 1 . MET 61 61 19733 1 . GLU 62 62 19733 1 . THR 63 63 19733 1 . ASP 64 64 19733 1 . LEU 65 65 19733 1 . GLN 66 66 19733 1 . ALA 67 67 19733 1 . LYS 68 68 19733 1 . MET 69 69 19733 1 . LYS 70 70 19733 1 . LYS 71 71 19733 1 . LEU 72 72 19733 1 . GLN 73 73 19733 1 . SER 74 74 19733 1 . MET 75 75 19733 1 . LYS 76 76 19733 1 . ALA 77 77 19733 1 . GLY 78 78 19733 1 . SER 79 79 19733 1 . ASP 80 80 19733 1 . ARG 81 81 19733 1 . THR 82 82 19733 1 . LYS 83 83 19733 1 . LEU 84 84 19733 1 . GLU 85 85 19733 1 . LYS 86 86 19733 1 . ASP 87 87 19733 1 . VAL 88 88 19733 1 . MET 89 89 19733 1 . ALA 90 90 19733 1 . GLN 91 91 19733 1 . ARG 92 92 19733 1 . GLN 93 93 19733 1 . THR 94 94 19733 1 . PHE 95 95 19733 1 . ALA 96 96 19733 1 . GLN 97 97 19733 1 . LYS 98 98 19733 1 . ALA 99 99 19733 1 . GLN 100 100 19733 1 . ALA 101 101 19733 1 . PHE 102 102 19733 1 . GLU 103 103 19733 1 . GLN 104 104 19733 1 . ASP 105 105 19733 1 . ARG 106 106 19733 1 . ALA 107 107 19733 1 . ARG 108 108 19733 1 . ARG 109 109 19733 1 . SER 110 110 19733 1 . ASN 111 111 19733 1 . GLU 112 112 19733 1 . GLU 113 113 19733 1 . ARG 114 114 19733 1 . GLY 115 115 19733 1 . LYS 116 116 19733 1 . LEU 117 117 19733 1 . VAL 118 118 19733 1 . THR 119 119 19733 1 . ARG 120 120 19733 1 . ILE 121 121 19733 1 . GLN 122 122 19733 1 . THR 123 123 19733 1 . ALA 124 124 19733 1 . VAL 125 125 19733 1 . LYS 126 126 19733 1 . SER 127 127 19733 1 . VAL 128 128 19733 1 . ALA 129 129 19733 1 . ASN 130 130 19733 1 . SER 131 131 19733 1 . GLN 132 132 19733 1 . ASP 133 133 19733 1 . ILE 134 134 19733 1 . ASP 135 135 19733 1 . LEU 136 136 19733 1 . VAL 137 137 19733 1 . VAL 138 138 19733 1 . ASP 139 139 19733 1 . ALA 140 140 19733 1 . ASN 141 141 19733 1 . ALA 142 142 19733 1 . VAL 143 143 19733 1 . ALA 144 144 19733 1 . TYR 145 145 19733 1 . ASN 146 146 19733 1 . SER 147 147 19733 1 . SER 148 148 19733 1 . ASP 149 149 19733 1 . VAL 150 150 19733 1 . LYS 151 151 19733 1 . ASP 152 152 19733 1 . ILE 153 153 19733 1 . THR 154 154 19733 1 . ALA 155 155 19733 1 . ASP 156 156 19733 1 . VAL 157 157 19733 1 . LEU 158 158 19733 1 . LYS 159 159 19733 1 . GLN 160 160 19733 1 . VAL 161 161 19733 1 . LYS 162 162 19733 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19733 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Escherichia_Coli_Skp . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 19733 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 19733 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Escherichia_Coli_Skp . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . pET28b . . . . . . 19733 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19733 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Escherichia_Coli_Skp (trimer)' '[U-13CE, U-1H]-Met; [U-13CB; U-1HB]-Ala; [U-2H; U-15N]' . . 1 $Escherichia_Coli_Skp . . 0.7 . . mM . . . . 19733 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19733 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19733 1 4 MES 'natural abundance' . . . . . . 25 . . mM . . . . 19733 1 5 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 19733 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19733 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 19733 1 pH 6.5 . pH 19733 1 pressure 1 . atm 19733 1 temperature 310 . K 19733 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 19733 _Software.ID 1 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 19733 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19733 1 'data analysis' 19733 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19733 _Software.ID 2 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19733 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19733 2 stop_ save_ save_PROSA _Software.Sf_category software _Software.Sf_framecode PROSA _Software.Entry_ID 19733 _Software.ID 3 _Software.Name PROSA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Guntert . . 19733 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19733 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19733 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AscendII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19733 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AscendII . 700 . . . 19733 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 19733 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-13C HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19733 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19733 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19733 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19733 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19733 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19733 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-13C HMQC' . . . 19733 1 2 '3D 1H-13C NOESY' . . . 19733 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 26 26 ALA HB1 H 1 1.492 0.02 . 1 . . . . 26 ALA MB . 19733 1 2 . 1 1 26 26 ALA HB2 H 1 1.492 0.02 . 1 . . . . 26 ALA MB . 19733 1 3 . 1 1 26 26 ALA HB3 H 1 1.492 0.02 . 1 . . . . 26 ALA MB . 19733 1 4 . 1 1 26 26 ALA CB C 13 24.508 0.3 . 1 . . . . 26 ALA CB . 19733 1 5 . 1 1 55 55 ALA HB1 H 1 1.622 0.02 . 1 . . . . 55 ALA MB . 19733 1 6 . 1 1 55 55 ALA HB2 H 1 1.622 0.02 . 1 . . . . 55 ALA MB . 19733 1 7 . 1 1 55 55 ALA HB3 H 1 1.622 0.02 . 1 . . . . 55 ALA MB . 19733 1 8 . 1 1 55 55 ALA CB C 13 17.53 0.3 . 1 . . . . 55 ALA CB . 19733 1 9 . 1 1 67 67 ALA HB1 H 1 1.075 0.02 . 1 . . . . 67 ALA MB . 19733 1 10 . 1 1 67 67 ALA HB2 H 1 1.075 0.02 . 1 . . . . 67 ALA MB . 19733 1 11 . 1 1 67 67 ALA HB3 H 1 1.075 0.02 . 1 . . . . 67 ALA MB . 19733 1 12 . 1 1 67 67 ALA CB C 13 16.731 0.3 . 1 . . . . 67 ALA CB . 19733 1 13 . 1 1 77 77 ALA HB1 H 1 1.392 0.02 . 1 . . . . 77 ALA MB . 19733 1 14 . 1 1 77 77 ALA HB2 H 1 1.392 0.02 . 1 . . . . 77 ALA MB . 19733 1 15 . 1 1 77 77 ALA HB3 H 1 1.392 0.02 . 1 . . . . 77 ALA MB . 19733 1 16 . 1 1 77 77 ALA CB C 13 18.279 0.3 . 1 . . . . 77 ALA CB . 19733 1 17 . 1 1 96 96 ALA HB1 H 1 1.556 0.02 . 1 . . . . 96 ALA MB . 19733 1 18 . 1 1 96 96 ALA HB2 H 1 1.556 0.02 . 1 . . . . 96 ALA MB . 19733 1 19 . 1 1 96 96 ALA HB3 H 1 1.556 0.02 . 1 . . . . 96 ALA MB . 19733 1 20 . 1 1 96 96 ALA CB C 13 17.33 0.3 . 1 . . . . 96 ALA CB . 19733 1 21 . 1 1 99 99 ALA HB1 H 1 1.609 0.02 . 1 . . . . 99 ALA MB . 19733 1 22 . 1 1 99 99 ALA HB2 H 1 1.609 0.02 . 1 . . . . 99 ALA MB . 19733 1 23 . 1 1 99 99 ALA HB3 H 1 1.609 0.02 . 1 . . . . 99 ALA MB . 19733 1 24 . 1 1 99 99 ALA CB C 13 17.583 0.3 . 1 . . . . 99 ALA CB . 19733 1 25 . 1 1 101 101 ALA HB1 H 1 1.574 0.02 . 1 . . . . 101 ALA MB . 19733 1 26 . 1 1 101 101 ALA HB2 H 1 1.574 0.02 . 1 . . . . 101 ALA MB . 19733 1 27 . 1 1 101 101 ALA HB3 H 1 1.574 0.02 . 1 . . . . 101 ALA MB . 19733 1 28 . 1 1 101 101 ALA CB C 13 17.324 0.3 . 1 . . . . 101 ALA CB . 19733 1 29 . 1 1 107 107 ALA HB1 H 1 1.529 0.02 . 1 . . . . 107 ALA MB . 19733 1 30 . 1 1 107 107 ALA HB2 H 1 1.529 0.02 . 1 . . . . 107 ALA MB . 19733 1 31 . 1 1 107 107 ALA HB3 H 1 1.529 0.02 . 1 . . . . 107 ALA MB . 19733 1 32 . 1 1 107 107 ALA CB C 13 17.54 0.3 . 1 . . . . 107 ALA CB . 19733 1 33 . 1 1 124 124 ALA HB1 H 1 1.484 0.02 . 1 . . . . 124 ALA MB . 19733 1 34 . 1 1 124 124 ALA HB2 H 1 1.484 0.02 . 1 . . . . 124 ALA MB . 19733 1 35 . 1 1 124 124 ALA HB3 H 1 1.484 0.02 . 1 . . . . 124 ALA MB . 19733 1 36 . 1 1 124 124 ALA CB C 13 19.43 0.3 . 1 . . . . 124 ALA CB . 19733 1 37 . 1 1 129 129 ALA HB1 H 1 0.8 0.02 . 1 . . . . 129 ALA MB . 19733 1 38 . 1 1 129 129 ALA HB2 H 1 0.8 0.02 . 1 . . . . 129 ALA MB . 19733 1 39 . 1 1 129 129 ALA HB3 H 1 0.8 0.02 . 1 . . . . 129 ALA MB . 19733 1 40 . 1 1 129 129 ALA CB C 13 17.249 0.3 . 1 . . . . 129 ALA CB . 19733 1 41 . 1 1 140 140 ALA HB1 H 1 1.349 0.02 . 1 . . . . 140 ALA MB . 19733 1 42 . 1 1 140 140 ALA HB2 H 1 1.349 0.02 . 1 . . . . 140 ALA MB . 19733 1 43 . 1 1 140 140 ALA HB3 H 1 1.349 0.02 . 1 . . . . 140 ALA MB . 19733 1 44 . 1 1 140 140 ALA CB C 13 18.262 0.3 . 1 . . . . 140 ALA CB . 19733 1 45 . 1 1 142 142 ALA HB1 H 1 1.566 0.02 . 1 . . . . 142 ALA MB . 19733 1 46 . 1 1 142 142 ALA HB2 H 1 1.566 0.02 . 1 . . . . 142 ALA MB . 19733 1 47 . 1 1 142 142 ALA HB3 H 1 1.566 0.02 . 1 . . . . 142 ALA MB . 19733 1 48 . 1 1 142 142 ALA CB C 13 18.851 0.3 . 1 . . . . 142 ALA CB . 19733 1 49 . 1 1 144 144 ALA HB1 H 1 1.239 0.02 . 1 . . . . 144 ALA MB . 19733 1 50 . 1 1 144 144 ALA HB2 H 1 1.239 0.02 . 1 . . . . 144 ALA MB . 19733 1 51 . 1 1 144 144 ALA HB3 H 1 1.239 0.02 . 1 . . . . 144 ALA MB . 19733 1 52 . 1 1 144 144 ALA CB C 13 20.321 0.3 . 1 . . . . 144 ALA CB . 19733 1 53 . 1 1 155 155 ALA HB1 H 1 1.4 0.02 . 1 . . . . 155 ALA MB . 19733 1 54 . 1 1 155 155 ALA HB2 H 1 1.4 0.02 . 1 . . . . 155 ALA MB . 19733 1 55 . 1 1 155 155 ALA HB3 H 1 1.4 0.02 . 1 . . . . 155 ALA MB . 19733 1 56 . 1 1 155 155 ALA CB C 13 17.338 0.3 . 1 . . . . 155 ALA CB . 19733 1 stop_ save_